Nonadecanoyl coenzyme a

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Catalog Number
ACM25045618
Product Name
Nonadecanoyl coenzyme a
Structure
Structure
CAS
25045-61-8
Category
Heterocyclic Organic Compound
Synonyms
Nonadecanethioicacid,S-ester with coenzyme A (8CI); nonadecanoyl-coenzyme A; 3-phosphoadenosine 5-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[(3-oxo-3-{[2-(nonadecanoylsulfanyl)ethyl]amino}propyl)amino]butyl} dihydrogen diphosphate); Coenzyme A,S-nonadecanoa
IUPAC Name
S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] nonadecanethioate
Molecular Weight
1048.02
Molecular Formula
C40H72N7O17P3S
Canonical SMILES
CCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O
InChI Key
YUJZGRUJMWKAJF-ZOUGCNRJSA-N
Exact Mass
1047.39000
H-Bond Acceptor
22
H-Bond Donor
9
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